N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide

C21H20N4O2 — CID 48657086

IUPACN-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(C)Cc2cccc(C#N)c2)n1
InChIInChI=1S/C21H20N4O2/c1-15-7-8-20(27-3)19(11-15)25-10-9-18(23-25)21(26)24(2)14-17-6-4-5-16(12-17)13-22/h4-12H,14H2,1-3H3
InChIKeyIHCVTLKZLMHOFN-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.33
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide

N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 48657086) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
PubChem CID48657086
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(C)Cc2cccc(C#N)c2)n1
InChIInChI=1S/C21H20N4O2/c1-15-7-8-20(27-3)19(11-15)25-10-9-18(23-25)21(26)24(2)14-17-6-4-5-16(12-17)13-22/h4-12H,14H2,1-3H3
InChIKeyIHCVTLKZLMHOFN-UHFFFAOYSA-N
XLogP3.33
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 120648799
2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 119209514
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
3-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]benzonitrile
CID 51224116
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48692037
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 86848028
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide (CID 48657086) is N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide is COc1ccc(C)cc1-n1ccc(C(=O)N(C)Cc2cccc(C#N)c2)n1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is IHCVTLKZLMHOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-7-8-20(27-3)19(11-15)25-10-9-18(23-25)21(26)24(2)14-17-6-4-5-16(12-17)13-22/h4-12H,14H2,1-3H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide?
N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 48657086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).